Ethyl Acetate → methyl 6-(2-fluorocyclohexyl)-4H-thieno[3,2-b]pyrrole-2-carboxylate

반응식

[CH2:1]([N:2]([S:3]([F:4])([F:5])[F:7])[CH2:6][CH3:8])[CH3:9].[CH3:29][CH2:30][O:31][C:32]([CH3:33])=[O:34].[OH:10][CH:11]1[CH:12]([c:17]2[c:18]3[c:19]([nH:20][cH:21]2)[cH:22][c:23]([C:25](=[O:26])[O:27][CH3:28])[s:24]3)[CH2:13][CH2:14][CH2:15][CH2:16]1>>[F:7][CH:11]1[CH:12]([c:17]2[c:18]3[c:19]([nH:20][cH:21]2)[cH:22][c:23]([C:25](=[O:26])[O:27][CH3:28])[s:24]3)[CH2:13][CH2:14][CH2:15][CH2:16]1

참가 물질

반응물 3

HCID 8857Ethyl Acetate

HCID 123472(Diethylamino)sulfur trifluoride

HCID 67298624methyl 6-(2-hydroxycyclohexyl)-4H-thieno[3,2-b]pyrrole-2-carboxylate

생성물 1

HCID 67298952methyl 6-(2-fluorocyclohexyl)-4H-thieno[3,2-b]pyrrole-2-carboxylate

출처 및 근거

ORD 기록: ord-90b5b90c7b6a469fa42734e3329a326f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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